9-[[3-(hydroxymethyl)-5-(methoxycarbonylamino)phenyl]amino]acridine-4-carboxylic acid

Systemtic Name: 9-[[3-(hydroxymethyl)-5-(methoxycarbonylamino)phenyl]amino]acridine-4-carboxylic acid Openeye Name: 9-[3-(hydroxymethyl)-5-(methoxycarbonylamino)anilino]acridine-4-carboxylic acid CAS Name: 9-[3-(hydroxymethyl)-5-(methoxycarbonylamino)anilino]-4-acridinecarboxylic acid IUPAC Name: 9-[3-(hydroxymethyl)-5-(methoxycarbonylamino)anilino]acridine-4-carboxylic acid Traditional Name: 9-[3-(carbomethoxyamino)-5-methylol-anilino]acridine-4-carboxylic acid Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)O)CO

Isomeric SMILES

COC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)O)CO

InChI

InChI=1S/C23H19N3O5/c1-31-23(30)25-15-10-13(12-27)9-14(11-15)24-20-16-5-2-3-8-19(16)26-21-17(20)6-4-7-18(21)22(28)29/h2-11,27H,12H2,1H3,(H,24,26)(H,25,30)(H,28,29)